methyl 9,10-dihydrobenzo[a]pyrene-10-carboxylate

Systemtic Name: methyl 9,10-dihydrobenzo[a]pyrene-10-carboxylate Openeye Name: methyl 9,10-dihydrobenzo[a]pyrene-10-carboxylate CAS Name: 9,10-dihydrobenzo[a]pyrene-10-carboxylic acid methyl ester IUPAC Name: methyl 9,10-dihydrobenzo[a]pyrene-10-carboxylate Traditional Name: 9,10-dihydrobenzo[a]pyrene-10-carboxylic acid methyl ester Formula: C22H16O2 MolecularWeight: 312.36124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CC2=C1C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

Isomeric SMILES

COC(=O)C1CC=CC2=C1C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

InChI

InChI=1S/C22H16O2/c1-24-22(23)18-7-3-6-15-12-16-9-8-13-4-2-5-14-10-11-17(20(15)18)21(16)19(13)14/h2-6,8-12,18H,7H2,1H3